- 26 Dec, 2014 3 commits
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Jason Swails authored
/usr/local/openmm/include/openmm/CustomHbondForce.h:477:25: warning: field 'p3' will be initialized after field 'parameters' [-Wreorder] p1(p1), p2(p2), p3(p3), parameters(parameters) { ^ I believe that the initializer is supposed to assign variables in the same order they're declared in the class definition (not the same order they're defined in the constructor argument list. -
peastman authored
Fix typo.
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Jason Swails authored
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- 25 Dec, 2014 1 commit
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peastman authored
Fix small bug in `simtk.unit` related to mutable sequences.
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- 18 Dec, 2014 3 commits
- 08 Dec, 2014 3 commits
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Jason Swails authored
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Jason Swails authored
found in doctests.py (and quite a bit more, too)
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Jason Swails authored
are NOT numpy arrays.
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- 06 Dec, 2014 1 commit
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Jason Swails authored
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- 04 Dec, 2014 2 commits
- 03 Dec, 2014 6 commits
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peastman authored
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peastman authored
Modified packaging scripts so that we no longer install Python into lib
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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- 02 Dec, 2014 1 commit
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John Chodera (MSKCC) authored
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- 26 Nov, 2014 5 commits
- 19 Nov, 2014 11 commits
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peastman authored
Updated instructions on running the test installation script
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peastman authored
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peastman authored
Conda testing
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Jason Swails authored
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Jason Swails authored
run_tests to TestingError so users only ever have one exception to catch.
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Jason Swails authored
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Jason Swails authored
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Jason Swails authored
SyntaxWarning otherwise). So move those imports back to the module level and save any error messages for when the tests are actually run (if ever). python -m simtk.testInstallation runs the tests, whereas python -c "import simtk.testInstallation" does not.
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Jason Swails authored
import of the new testInstallation module and a command to run the tests. This way, we only have one place where we need to maintain this code, yet the current workflow of "run testInstallation.py" still works.
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Jason Swails authored
Also copy the test PDB file to the data/ directory, since we rather need it...
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peastman authored
Workaround for CUDA bug
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- 18 Nov, 2014 4 commits